SCHEMBL200192

SCHEMBL200192

CC(=O)N(CC#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 2/20 0.48
GLA P06280 2/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLQ O75417 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RCE1 Q9Y256 1/20 0.44
TP53 P04637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6633325 0.82 HSD17B10 (0.63) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL27567460 0.81 USP2 (0.46) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL3415214 0.81 ALDH1A1 (0.49) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7522860 0.81 HSD17B10 (0.47) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7724212 0.80 MEN1 (0.55) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11871479 0.79 ALDH1A1 (0.60) ALDH1A1TSHRGLAMEN1KMT2A
Water SCHEMBL27256325 0.79 ALDH1A1 (0.70) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL10099720 0.78 MEN1 (0.62) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7505138 0.76 ALDH1A1 (0.55) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL1333185 0.76 ALDH1A1 (0.73) ALDH1A1TSHRGLAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP disclosed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
US-3965139-A HERBICIDE DIAMOND SHAMROCK CORPORATION (US) 1976-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 ALDH1A1 1350/4885TSHR 4156/4885GLA 1558/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 ALDH1A1 953/4885TSHR 4001/4885GLA 1293/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS ALDH1A1 1083/4885TSHR 4562/4885GLA 1364/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.